Geant4  10.01.p03
PDBresidue.hh
Go to the documentation of this file.
1 //
2 // ********************************************************************
3 // * License and Disclaimer *
4 // * *
5 // * The Geant4 software is copyright of the Copyright Holders of *
6 // * the Geant4 Collaboration. It is provided under the terms and *
7 // * conditions of the Geant4 Software License, included in the file *
8 // * LICENSE and available at http://cern.ch/geant4/license . These *
9 // * include a list of copyright holders. *
10 // * *
11 // * Neither the authors of this software system, nor their employing *
12 // * institutes,nor the agencies providing financial support for this *
13 // * work make any representation or warranty, express or implied, *
14 // * regarding this software system or assume any liability for its *
15 // * use. Please see the license in the file LICENSE and URL above *
16 // * for the full disclaimer and the limitation of liability. *
17 // * *
18 // * This code implementation is the result of the scientific and *
19 // * technical work of the GEANT4 collaboration. *
20 // * By using, copying, modifying or distributing the software (or *
21 // * any work based on the software) you agree to acknowledge its *
22 // * use in resulting scientific publications, and indicate your *
23 // * acceptance of all terms of the Geant4 Software license. *
24 // ********************************************************************
25 //
26 // This example is provided by the Geant4-DNA collaboration
27 // Any report or published results obtained using the Geant4-DNA software
28 // shall cite the following Geant4-DNA collaboration publication:
29 // Med. Phys. 37 (2010) 4692-4708
30 // Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
31 // Bank (PDB) description for Geant4-DNA Monte-Carlo
32 // simulations (submitted to Comput. Phys. Commun.)
33 // The Geant4-DNA web site is available at http://geant4-dna.org
34 //
35 // --------------------------------------------------------------
36 // Authors: E. Delage
37 // november 2013
38 // --------------------------------------------------------------
39 //
40 // $Id$
41 //
44 
45 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
46 
47 #ifndef RESIDUE_H
48 #define RESIDUE_H
49 
50 #include "PDBatom.hh"
51 
52 class Atom;
53 
55 
58 class Residue
59 {
60 public:
62  Residue();
64  Residue(string resName,int resSeq);
66  ~Residue() {};
67 
69  void affiche();
71  Residue *GetNext();
73  Atom *GetFirst();
75  int GetID();
77  void SetNext(Residue *);
79  void SetFirst(Atom *);
80 
81  string fResName;
82  int fResSeq;
83  bool fVisible;
84  bool fSelected;
85  int fCenterX;
86  int fCenterY;
87  int fCenterZ;
88  int fNbAtom;
89 
90 private:
95 };
96 
97 #endif
98 
99 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void affiche()
information about molecule (not implemented)
int fCenterZ
Definition: PDBresidue.hh:87
Residue * fpNext
Residue header for next residue (usage before vector)
Definition: PDBresidue.hh:92
int fNbAtom
Number of atoms into a residue (usage before vector)
Definition: PDBresidue.hh:88
int fCenterX
Definition: PDBresidue.hh:85
Residue * GetNext()
Get the next residue.
Definition: PDBresidue.cc:67
int GetID()
Get the number of the residue.
Definition: PDBresidue.cc:81
Residue Class.
Definition: PDBresidue.hh:58
int fCenterY
Definition: PDBresidue.hh:86
Atom * fpFirst
Atom header for first atom of residue (usage before vector)
Definition: PDBresidue.hh:94
Atom Class.
Definition: PDBatom.hh:57
~Residue()
Destructor.
Definition: PDBresidue.hh:66
bool fVisible
Whether Residue is visible or not.
Definition: PDBresidue.hh:83
string fResName
Residue name.
Definition: PDBresidue.hh:81
Atom * GetFirst()
Get the first atom.
Definition: PDBresidue.cc:74
void SetNext(Residue *)
Set the next residue.
Definition: PDBresidue.cc:88
Definition of the Atom class.
int fResSeq
Residue sequence number.
Definition: PDBresidue.hh:82
bool fSelected
Whether Residue is selected (Highlight) or not.
Definition: PDBresidue.hh:84
Residue()
Constructor.
Definition: PDBresidue.cc:44
void SetFirst(Atom *)
Set the first Atom of the residue.
Definition: PDBresidue.cc:95